3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol

C13H13N3O2 — CID 115108539

IUPAC3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol
SMILESCc1c(-c2cc(N)on2)c2cccc(O)c2n1C
InChIInChI=1S/C13H13N3O2/c1-7-12(9-6-11(14)18-15-9)8-4-3-5-10(17)13(8)16(7)2/h3-6,17H,14H2,1-2H3
InChIKeyYQAGPYDTKNHWMA-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.43
Rot. Bonds1

About 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol

3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol (PubChem CID 115108539) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol.

Molecular Properties

Compound Name3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol
PubChem CID115108539
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol
SMILESCc1c(-c2cc(N)on2)c2cccc(O)c2n1C
InChIInChI=1S/C13H13N3O2/c1-7-12(9-6-11(14)18-15-9)8-4-3-5-10(17)13(8)16(7)2/h3-6,17H,14H2,1-2H3
InChIKeyYQAGPYDTKNHWMA-UHFFFAOYSA-N
XLogP2.43
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015303
3-(5-tert-butyl-1,2-dimethylindol-3-yl)-1,2-oxazol-5-amine
CID 84743563
5-(7-ethyl-1,2-dimethylindol-3-yl)-1,2-oxazol-3-amine
CID 84742263
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 141063590
3-(5-amino-1,2-oxazol-3-yl)-1H-indol-7-ol
CID 136985951
2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
CID 136998676
3-(7-bromo-2-methyl-1H-indol-3-yl)-1,2-oxazol-5-amine
CID 136986026
6-(1,2,7-trimethylindol-3-yl)pyridin-3-amine
CID 115110486
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070
4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 136931065
5-(7-ethyl-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742218

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol?
The IUPAC name of 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol (CID 115108539) is 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol.
What is the SMILES notation for 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol?
The canonical SMILES for 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol is Cc1c(-c2cc(N)on2)c2cccc(O)c2n1C.
What is the InChIKey of 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol?
The InChIKey is YQAGPYDTKNHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-7-12(9-6-11(14)18-15-9)8-4-3-5-10(17)13(8)16(7)2/h3-6,17H,14H2,1-2H3.
What are the key properties of 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol?
3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol has a molecular weight of 243.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2-oxazol-3-yl)-1,2-dimethylindol-7-ol is sourced from PubChem (CID 115108539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).